this version requires full pseudpotential generation information

Message

Fm3m · #1 Post by **Fm3m** » Tue May 07, 2013 3:42 pm

I am running vasp 5.2.11 and using these pseudopotentials:
PAW_PBE La 06Sep2000
TITEL = PAW_PBE La 06Sep2000
PAW_PBE Mn_pv 02Aug2007
TITEL = PAW_PBE Mn_pv 02Aug2007
PAW_PBE O 08Apr2002
TITEL = PAW_PBE O 08Apr2002

The La and O are fine (can be used for other calculations, no problem) but even a simple total energy calculation using the Mn gives the following error:

this version requires full pseudpotential generation information

This is my INCAR. The problem persists with different Mn pseudopotentials (e.g. PAW Mn 03Mar1998) and if I leave out the LDA+U tags in the INCAR.

ISMEAR=-5
LWAVE = .FALSE.
LCHARG = .FALSE.
PREC= Accurate
ENCUT = 500
EDIFF=1e-6
NELMIN=6
IBRION=2
POTIM=0.25

# Now the LDA+U stuff
ISPIN=2
MAGMOM=0 6 0 0 0
VOSKOWN=1
LDAU=.TRUE.
LDAUTYPE=1
LDAUL=-1 2 -1
LDAUU=0.0 4.5 0.0
LDAUJ=0 0.9 0
LDAUPRINT=1
LMAXMIX=4 #Since we don't have f electrons

Help!

Fm3m · #2 Post by **Fm3m** » Tue May 07, 2013 5:47 pm

Problem solved: I had a corrupted pseudopotential.

Jomber23 · #3 Post by **Jomber23** » Mon Sep 23, 2013 11:41 pm

I have a similar problem.

I am running vasp.5.2.2 and using these pseudopotentials:
PAW_PBE C 08Apr2002
TITEL = PAW_PBE C 08Apr2002
PAW_PBE Pt 05Jan2001
TITEL = PAW_PBE Pt 05Jan2001

The Pt are fine but using the O gives the following error:

this version requires full pseudpotential generation information

I don't know what it's happening, maybe the pseudopotential file to O is wrong or something.

Thanks for your attention